SCHEMBL9538440

SCHEMBL9538440

CCCCCN(CCCCC)C(=O)[C@@H](CCCC)NC(=O)OC(C)(C)C.CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.54
CTSS P25774 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9439085 0.95 CTSK (0.58) CTSKCTSS
SCHEMBL3448997 0.87 CTSK (0.68) CTSKCTSS
SCHEMBL345582 0.87 CTSK (0.68) CTSKCTSS
SCHEMBL1350139 0.87 CTSK (0.68) CTSKCTSS
SCHEMBL7256814 0.86 CCKBR (0.53)
SCHEMBL8143993 0.85 CTSK (0.48) CTSKCTSS
SCHEMBL464525 0.85 CTSK (0.48) CTSKCTSS
Hydrochloric Acid SCHEMBL6037571 0.85 CTSK (0.66) CTSKCTSS
SCHEMBL18875931 0.85 CTSK (0.62) CTSKCTSS
SCHEMBL3233192 0.85 CTSK (0.62) CTSKCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed